(3aR,6aR)-5,6a-ditert-butyl-3-(4-chlorophenyl)-3aH-pentalene-1,4-dione

Systemtic Name: (3aR,6aR)-5,6a-ditert-butyl-3-(4-chlorophenyl)-3aH-pentalene-1,4-dione Openeye Name: (3aR,6aR)-5,6a-ditert-butyl-3-(4-chlorophenyl)-3aH-pentalene-1,4-dione CAS Name: (3aR,6aR)-5,6a-ditert-butyl-3-(4-chlorophenyl)-3aH-pentalene-1,4-dione IUPAC Name: (3aR,6aR)-5,6a-ditert-butyl-3-(4-chlorophenyl)-3aH-pentalene-1,4-dione Traditional Name: (3aR,6aR)-5,6a-ditert-butyl-3-(4-chlorophenyl)-3aH-pentalene-1,4-quinone Formula: C22H25ClO2 MolecularWeight: 356.8857

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2(C(C1=O)C(=CC2=O)C3=CC=C(C=C3)Cl)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=C[C@@]2([C@H](C1=O)C(=CC2=O)C3=CC=C(C=C3)Cl)C(C)(C)C

InChI

InChI=1S/C22H25ClO2/c1-20(2,3)16-12-22(21(4,5)6)17(24)11-15(18(22)19(16)25)13-7-9-14(23)10-8-13/h7-12,18H,1-6H3/t18-,22+/m0/s1